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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'gleave' and Initial = 'me'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen receptor


(Homo sapiens (Human))
BDBM50573398
PNG
(CHEMBL4845915)
Show SMILES Fc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
PDB
MMDB

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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573397
PNG
(CHEMBL4856070)
Show SMILES Fc1ccc2c(c[nH]c2c1Cl)-c1ccc2ccccc2n1
PDB
MMDB

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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573411
PNG
(CHEMBL4849023)
Show SMILES FC(F)CNC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573399
PNG
(CHEMBL4870389)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2ccccc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573413
PNG
(CHEMBL4847082)
Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)-c1cncs1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573412
PNG
(CHEMBL4872533)
Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)C(=O)NC1CC1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
PDB
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n/an/a 75n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573390
PNG
(CHEMBL4852876)
Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2ccccc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573395
PNG
(CHEMBL4870138)
Show SMILES Fc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573408
PNG
(CHEMBL4857183)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2cccc(F)c2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573396
PNG
(CHEMBL4875734)
Show SMILES Clc1cccc2c(c[nH]c12)-c1ccc2ccccc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573414
PNG
(CHEMBL4876258)
Show SMILES CNC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573394
PNG
(CHEMBL4852991)
Show SMILES Fc1cc(Cl)cc2c(c[nH]c12)-c1ccc2ccccc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573416
PNG
(CHEMBL4866292)
Show SMILES CC(C)NC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB assessed as reduction in PSA level incubated for 3 days


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573410
PNG
(CHEMBL4871740)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2cccc(Br)c2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573393
PNG
(CHEMBL4852542)
Show SMILES Cc1c(F)ccc2c(c[nH]c12)-c1ccc2ccccc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573415
PNG
(CHEMBL4849002)
Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)C(=O)NCC1CC1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573407
PNG
(CHEMBL4869391)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2cccc(C)c2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573416
PNG
(CHEMBL4866292)
Show SMILES CC(C)NC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573392
PNG
(CHEMBL4850974)
Show SMILES Fc1ccc2c(c[nH]c2c1F)-c1ccc2ccccc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573409
PNG
(CHEMBL4856585)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2cccc(Cl)c2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573404
PNG
(CHEMBL4868944)
Show SMILES CNC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(C)cccc12
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573391
PNG
(CHEMBL4877104)
Show SMILES Cc1cc(F)cc2c(c[nH]c12)-c1ccc2ccccc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573403
PNG
(CHEMBL4868764)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2c(cccc2n1)C(F)(F)F
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573405
PNG
(CHEMBL4864867)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2ccc(F)cc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573417
PNG
(CHEMBL4875909)
Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)-c1nccs1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573418
PNG
(CHEMBL4871449)
Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)C(F)(F)F
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573421
PNG
(CHEMBL4848581)
Show SMILES [Na;v0+].[Na;v0+].[#6]-[#6](-[#6])-[#7]-[#6](=O)-c1cccc2nc(ccc12)-c1cn(-[#6]-[#8]P([#8-])([#8-])=O)c2c(F)c(F)c(F)cc12
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573419
PNG
(CHEMBL4854145)
Show SMILES CC(C)(C)NC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12
PDB
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n/an/a 740n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573389
PNG
(CHEMBL4876467)
Show SMILES Clc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
PDB
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573400
PNG
(CHEMBL4877237)
Show SMILES Cc1cc(C)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
PDB
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n/an/a 1.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573406
PNG
(CHEMBL4852702)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2ccc(Cl)cc2n1
PDB
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n/an/a 1.65E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573401
PNG
(CHEMBL4860114)
Show SMILES Cc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
PDB
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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573402
PNG
(CHEMBL4846981)
Show SMILES Cc1ccc2c(c[nH]c2c1F)-c1ccc2ccccc2n1
PDB
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n/an/a 2.17E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Myc proto-oncogene protein/Protein max


(Homo sapiens (Human))
BDBM50520737
PNG
(CHEMBL4467662)
Show SMILES FC(F)(F)c1cc(NC(=S)NCc2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F6N2S/c17-15(18,19)11-6-12(16(20,21)22)8-13(7-11)24-14(25)23-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,23,24,25)
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of Myc-Max (unknown origin) expressed in human LNCAP cells assessed as reduction in transcriptional activity after 1 day by luciferase rep...


Eur J Med Chem 160: 108-119 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.023
BindingDB Entry DOI: 10.7270/Q2BK1GS2
More data for this
Ligand-Target Pair
Myc proto-oncogene protein/Protein max


(Homo sapiens (Human))
BDBM50520738
PNG
(CHEMBL224118)
Show SMILES FC(F)(F)c1ccccc1\C=C1/SC(=S)NC1=O
Show InChI InChI=1S/C11H6F3NOS2/c12-11(13,14)7-4-2-1-3-6(7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-
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n/an/a 2.27E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of Myc-Max (unknown origin) expressed in human LNCAP cells assessed as reduction in transcriptional activity after 1 day by luciferase rep...


Eur J Med Chem 160: 108-119 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.023
BindingDB Entry DOI: 10.7270/Q2BK1GS2
More data for this
Ligand-Target Pair
Myc proto-oncogene protein/Protein max


(Homo sapiens (Human))
BDBM50520739
PNG
(CHEMBL443375)
Show SMILES CCc1ccc(\C=C2/SC(=S)NC2=O)cc1
Show InChI InChI=1S/C12H11NOS2/c1-2-8-3-5-9(6-4-8)7-10-11(14)13-12(15)16-10/h3-7H,2H2,1H3,(H,13,14,15)/b10-7-
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n/an/a 2.89E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of Myc-Max (unknown origin) expressed in human LNCAP cells assessed as reduction in transcriptional activity after 1 day by luciferase rep...


Eur J Med Chem 160: 108-119 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.023
BindingDB Entry DOI: 10.7270/Q2BK1GS2
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573420
PNG
(CHEMBL4870661)
Show SMILES OC(c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12)C(F)(F)F
PDB
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n/an/a 3.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair